Geometry & MOs

Info

ID:	38583
PubChem CID:	8137137
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	325.127385
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	2.71
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)COC3=NOC(=C3)C

DOS

IR

Vibrations